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CAS 1314934-34-3 3,4-Dihydro-8-methylpyrido[2,3-b]pyrazin-2(1H)-one molecular structure lightbox
CAS RN: 1314934-34-3

3,4-Dihydro-8-methylpyrido[2,3-b]pyrazin-2(1H)-one

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Batchno.20250111 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1314934-34-3
  • Purity/Analytical Methods: >99.0%
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1314934-34-3 / 8-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one

Standard CAS: 1314934-34-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1314934-34-3
Multi CAS
No
Molecular Formula
C8H9N3O
Molecular Weight
163.180000
Exact Mass
163.074562
SMILES
CC1=C2C(=NC=C1)NCC(=O)N2
InChI
InChI=1S/C8H9N3O/c1-5-2-3-9-8-7(5)11-6(12)4-10-8/h2-3H,4H2,1H3,(H,9,10)(H,11,12)
InChIKey
QPFWBUBUXAJWEB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.09
TPSA
54.02

LogP / Solubility

WLOGP
0.75
MLOGP
0.66
XLogP3
0.5
Consensus LogP
0.64
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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